3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid

C10H12O6 — CID 67023090

IUPAC3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid
SMILESC=C(C)C(=O)OC1CC(C(=O)O)C1C(=O)O
InChIInChI=1S/C10H12O6/c1-4(2)10(15)16-6-3-5(8(11)12)7(6)9(13)14/h5-7H,1,3H2,2H3,(H,11,12)(H,13,14)
InChIKeyDMKDEVPDIMWECT-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.28
Rot. Bonds4

About 3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid

3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid (PubChem CID 67023090) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid
PubChem CID67023090
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid
SMILESC=C(C)C(=O)OC1CC(C(=O)O)C1C(=O)O
InChIInChI=1S/C10H12O6/c1-4(2)10(15)16-6-3-5(8(11)12)7(6)9(13)14/h5-7H,1,3H2,2H3,(H,11,12)(H,13,14)
InChIKeyDMKDEVPDIMWECT-UHFFFAOYSA-N
XLogP0.28
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4S)-2-acetyloxy-4-methoxycarbonylcyclobutane-1-carboxylic acid
CID 10998427
(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 66694520
2-adamantyl 2-methylprop-2-enoate
CID 12039948
methyl 3-methyl-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 143139267
[(4S)-4,5-dimethyl-2-propanoyloxycyclohexyl] 2-methylprop-2-enoate
CID 89091482
4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid
CID 158943945
2-methyl-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 70671066
(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 153303586
acetonitrile;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate
CID 157193732
ditert-butyl 5-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 89116229
trans-(1R,2R)-cyclopentane-1,2,3,4-tetracarboxylic acid
CID 54441949
3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
CID 23208873

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid?
The IUPAC name of 3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid (CID 67023090) is 3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid.
What is the SMILES notation for 3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid?
The canonical SMILES for 3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid is C=C(C)C(=O)OC1CC(C(=O)O)C1C(=O)O.
What is the InChIKey of 3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid?
The InChIKey is DMKDEVPDIMWECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-4(2)10(15)16-6-3-5(8(11)12)7(6)9(13)14/h5-7H,1,3H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid?
3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid has a molecular weight of 228.20 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid is sourced from PubChem (CID 67023090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).